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Crystal Structure of the Complex formed between Alkaline Proteinase Savinase and Gramicidin S at 1.5A Resolution

Analyse Crystal Structure of the Complex formed between Alkaline Proteinase Savinase… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1TK2
Type
protein
Length
279 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
1.54
Source
BACILLUS LENTUS; SYNTHETIC CONSTRUCT
Molecule
Subtilisin savinase; Gramicidin S
EC
3.4.21.62
UniProt
P29600
Ligands
CA
Pockets
1 · best druggability 0.41

Structure

x-ray diffraction · resolution 1.54 · 2 distinct chains · 29% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASubtilisin savinase (EC 3.4.21.62)protein26930% helix, 20% strandP29600
BGramicidin Sprotein100% helix, 40% strand—

Ligands and binding sites

  • CA · Calcium ion · metal · 2 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1590.410.8123empty

Interfaces

1 interface between chains.

  • A–B · 537 Ų buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 d-amino, 2 modified (D-amino acid, nonstandard).

Compared structures

  • 1TK2 · Crystal structure of the complex formed between alkaline proteinase savinase and… · the same entry in another collection · chain A against A, TM-score 1.00
  • P29600 · AlphaFold monomer V2.0 prediction for subtilisin savinase (P29600) · a predicted model of the same protein · chain A against A, TM-score 1.00

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